About potential with erfc term in it

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1

Respected LAMMPS users !

The two body part of my potential includes two terms 1) Buckingham potential 2) U = (QiQj / rij ) * erfc ( rij / a ) where Qi and Qj are the charge and a is a constant and rij is the distance. I have difficulty to use the second term. Rather than tabulating option is there any other potential with similar term in it that you can suggest so that I can use ? For example buck6d/coul/gauss/dsf almost looks similar except erf part rather erfc.

Many thanks in advance,
Shargh

2

LAMMPS does not come with a GUI, but it still is WYSIWYG: if you can see it in the manual, it is available; if you don’t, it is not.

axel

3

Thank you sir.
Shargh